1H-Pyrazole-3,5-dicarboxylic acid

Inquiry

Molecular Formula:

C5H4N2O4

Molecular Weight:

156.0970

CAS Number:

3112-31-0

Catalog Number:

3112-31-0

Product Information

Molecular Formula:

C5H4N2O4

Molecular Weight:

156.0970

Description

1H-Pyrazole-3,5-dicarboxylic acid is a chemical intermediate widely used in medicinal chemistry and drug design. It plays a key role in the synthesis of various pharmaceutical compounds, particularly those targeting neurological disorders and cardiovascular diseases.

Synonyms

1H-Pyrazole-3,5-dicarboxylic acid

IUPAC Name

1H-pyrazole-3,5-dicarboxylic acid

Canonical SMILES

C1=C(NN=C1C(=O)O)C(=O)O

InChI

InChI=1S/C5H4N2O4/c8-4(9)2-1-3(5(10)11)7-6-2/h1H,(H,6,7)(H,8,9)(H,10,11)

InChI Key

YDMVPJZBYSWOOP-UHFFFAOYSA-N

Boiling Point

614.4±40.0 °C(Predicted)

Melting Point

295 °C

Purity

>98.0%(T)

Density

1.814±0.06 g/cm3(Predicted)

Appearance

White to Almost white powder to crystal

Storage

Store under inert gas

Computed Properties

XLogP3

-0.1

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

156.01710661 g/mol

Monoisotopic Mass

156.01710661 g/mol

Topological Polar Surface Area

103Å²

Heavy Atom Count

Formal Charge

Complexity

193

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

Patents

Publication Number	Title	Priority Date
JP-2022009369-A	Deodorant for daily life odor	2021-10-21
CN-113667136-A	Ultrahigh-stability and low-cost metal-organic framework material for efficiently separating acetylene/carbon dioxide and preparation method thereof	2021-09-09
CN-113549223-A	Micron MOF-303 and preparation method thereof	2021-08-05
CN-113689918-A	Method for predicting performance of metal organic framework material in catalyzing carbon dioxide	2021-06-24
CN-215139840-U	Bromination cauldron is used in 4-bromine pyrazole processing with tail gas treatment function	2021-04-28
CN-113046734-A	Bivalent palladium complex solution and preparation method and application thereof	2021-03-12
CN-112827470-A	Selective air water-absorbing MOFs material with high stability and preparation method thereof	2020-12-22
CN-112662088-A	Flame-retardant PVC/NBR rubber-plastic floor material and processing method thereof	2020-12-10
WO-2022053010-A1	Fused ring pyrimidone derivatives for use in the treatment of hbv infection or of hbv-induced diseases	2020-09-11
CN-111925166-A	Glass fiber reinforced concrete material and preparation method thereof	2020-07-29

Literatures

PMID	Publication Date	Title	Journal
22763758	2012-08-18	Highly emissive Zn-Ln metal-organic frameworks with an unusual 3D inorganic subnetwork	Chemical communications (Cambridge, England)
21983899	2011-11-21	Incorporation of active metal sites in MOFs via in situ generated ligand deficient metal-linker complexes	Chemical communications (Cambridge, England)
21423959	2011-05-14	Two novel heterometallic Cu(II)-Sr(II) coordination polymers based on 3,5-pyrazoledicarboxylic acid: synthesis, crystal structures and magnetic properties	Dalton transactions (Cambridge, England : 2003)
21331397	2011-03-28	CO2 selectivity of a 1D microporous adenine-based metal-organic framework synthesised in water	Chemical communications (Cambridge, England)
21589058	2010-10-20	2-Amino-5-methyl-pyridinium 1H-pyrazole-3,5-dicarboxyl-ate trihydrate	Acta crystallographica. Section E, Structure reports online
21587446	2010-09-30	catena-Poly[hexaaqua-1κO,2κO,3κO-(μ(4)-3,5-dicarboxylatopyrazol-1-ido-3':1:2:3κO:N,O:N,O:O)(μ(2)-3,5-dicarboxylatopyrazol-1-ido-1:2κN,O:N,O)-1,2-dicopper(II)-3-manganese(II)]	Acta crystallographica. Section E, Structure reports online
21587560	2010-09-18	Piperazine-1,4-diium bis-(2-carb-oxy-1H-pyrazole-4-carboxyl-ate) tetra-hydrate	Acta crystallographica. Section E, Structure reports online
21588639	2010-08-11	2,2',5,5'-Tetra-chloro-benzidine	Acta crystallographica. Section E, Structure reports online
21588159	2010-07-14	Tris(ethyl-enediamine)-nickel(II) 1H-pyrazole-3,5-dicarboxyl-ate 1.67-hydrate	Acta crystallographica. Section E, Structure reports online
21587990	2010-06-26	2,4,6-Triphenyl-aniline	Acta crystallographica. Section E, Structure reports online

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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1H-Pyrazole-3,5-dicarboxylic acid

Product Information

Computed Properties

Patents

Literatures

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